N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide

C25H29N3O4S — CID 3519999

IUPACN-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCCCCC)c(=O)c2c1
InChIInChI=1S/C25H29N3O4S/c1-3-5-6-10-15-26-25(30)22-18-27-23-14-13-20(17-21(23)24(22)29)33(31,32)28(16-4-2)19-11-8-7-9-12-19/h4,7-9,11-14,17-18H,2-3,5-6,10,15-16H2,1H3,(H,26,30)(H,27,29)
InChIKeyKGCJZLYCSFYTSG-UHFFFAOYSA-N
MW467.59 g/mol
LogP4.22
Rot. Bonds11

About N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide

N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide (PubChem CID 3519999) has the molecular formula C25H29N3O4S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide
PubChem CID3519999
Molecular FormulaC25H29N3O4S
Molecular Weight467.59 g/mol
Exact Mass467.19
IUPAC NameN-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCCCCC)c(=O)c2c1
InChIInChI=1S/C25H29N3O4S/c1-3-5-6-10-15-26-25(30)22-18-27-23-14-13-20(17-21(23)24(22)29)33(31,32)28(16-4-2)19-11-8-7-9-12-19/h4,7-9,11-14,17-18H,2-3,5-6,10,15-16H2,1H3,(H,26,30)(H,27,29)
InChIKeyKGCJZLYCSFYTSG-UHFFFAOYSA-N
XLogP4.22
TPSA99.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.59
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-oxo-N-(2-phenylethyl)-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide
CID 5210879
N-butyl-6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 126479543
6-[ethyl(phenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylic acid
CID 3513999
6-[(4-fluorophenyl)-methylsulfamoyl]-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 4654060
6-[ethyl-(4-fluorophenyl)sulfamoyl]-N-(furan-2-ylmethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 4620966
N-butyl-6-(methoxymethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 18473157
N-(3-methoxypropyl)-6-[methyl-(4-propan-2-ylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
CID 3293430
6-[(3,4-dimethylphenyl)-methylsulfamoyl]-N-(2-methoxyethyl)-4-oxo-1H-quinoline-3-carboxamide
CID 3371833
N-(2-amino-2-oxoethyl)-2-chloro-5-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 9295541
N-[(3-bromophenyl)methyl]-6-(diethylsulfamoyl)-4-oxo-1H-quinoline-3-carboxamide
CID 141331207
6-(diethylsulfamoyl)-4-oxo-N-(4-phenylbutan-2-yl)-1H-quinoline-3-carboxamide
CID 5216666
N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16547658

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide?
The IUPAC name of N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide (CID 3519999) is N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide is C=CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCCCCC)c(=O)c2c1.
What is the InChIKey of N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide?
The InChIKey is KGCJZLYCSFYTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O4S/c1-3-5-6-10-15-26-25(30)22-18-27-23-14-13-20(17-21(23)24(22)29)33(31,32)28(16-4-2)19-11-8-7-9-12-19/h4,7-9,11-14,17-18H,2-3,5-6,10,15-16H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide?
N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide has a molecular weight of 467.59 g/mol, XLogP of 4.22, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4-oxo-6-[phenyl(prop-2-enyl)sulfamoyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 3519999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).